Geometry & MOs

Info

ID:	157515
PubChem CID:	56435379
Reduced:	SO3N5C22H33 (1)
Stoich.:	AB3C5D22E33 (1)
Weight, g/mol:	444.284889
ΔH_f, kcal/mol:	-90.8
Dipole, Da:	1.38
IP(EA), eV:	-9.16(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,5-ditert-butylpyrazol-3-yl)-3-(6-methyl-2-morpholin-4-yl-4-oxo-1H-pyrimidin-5-yl)propanamide

Drug info:

PubChemData

Smile

CC(C)(C)C1=NN(C(=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CN=CC=C3)C(C)(C)C

DOS

IR

Vibrations